SCHEMBL8038013

SCHEMBL8038013

O=C(Cl)c1cc(F)c(Cl)c(Cl)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
ALOX15 P16050 1/20 0.45
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HPGD P15428 3/20 0.34
TSHR P16473 2/20 0.33
MAPT P10636 1/20 0.33
CES2 O00748 4/20 0.32
CES1 P23141 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PPARG P37231 2/20 0.31
PPARA Q07869 2/20 0.31
PIK3CA P42336 1/20 0.30
PLAU P00749 1/20 0.30
ELANE P08246 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8754934 0.84 ALDH1A1 (0.43) ALDH1A1ALOX15KEAP1NFE2L2POLB
SCHEMBL9766142 0.82 KEAP1 (0.39) ALDH1A1ALOX15KEAP1NFE2L2POLB
SCHEMBL8974977 0.82 KEAP1 (0.53) ALDH1A1KEAP1NFE2L2POLBAPEX1
SCHEMBL9766052 0.81 ALDH1A1 (0.41) ALDH1A1ALOX15KEAP1NFE2L2POLB
SCHEMBL10539276 0.81 ALDH1A1 (0.41) ALDH1A1ALOX15KEAP1NFE2L2POLB
SCHEMBL8048009 0.81 ALDH1A1 (0.41) ALDH1A1ALOX15KEAP1NFE2L2POLB
SCHEMBL5360639 0.81 ALDH1A1 (0.37) ALDH1A1ALOX15KEAP1NFE2L2POLB
SCHEMBL24710385 0.78 ALDH1A1 (0.54) ALDH1A1ALOX15KEAP1NFE2L2POLB
SCHEMBL28525271 0.78 ALDH1A1 (0.54) ALDH1A1ALOX15KEAP1NFE2L2POLB
SCHEMBL29690316 0.77 ALDH1A1 (0.45) ALDH1A1ALOX15KEAP1NFE2L2POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0583705-A1 Process for the preparation of 2,3,4-trichloro-5-fluoro-benzoylchloride BAYER AG (DE) 1994-02-23 EP claimed
JP-6157404-A None JP disclosed
US-11059788-B2 Streamlined syntheses of fluoroquinolones VIRGINIA COMMONWEALTH UNIVERSITY (US) 2021-07-13 US disclosed
US-20200123111-A1 STREAMLINED SYNTHESES OF FLUOROQUINOLONES VIRGINIA COMMONWEALTH UNIVERSITY 2020-04-23 US disclosed
EP-0757667-B1 PROCESSES FOR PREPARING AROMATIC, BROMINE-CONTAINING COMPOUNDS, NOVEL BROMINE-CONTAINING COMPOUNDS, AND THEIR USE AS INTERMEDIATE PRODUCTS IN THE SYNTHESIS OF ACTIVE AGENTS BAYER AG (DE) 2000-04-19 EP disclosed
US-5792892-A BROMINATION IN THE PRESENCE OF ALUMINUM CHLORIDE AND BROMINE AND CHLORINE BAYER AKTIENGESELLSCHAFT (DE) 1998-08-11 US disclosed
EP-0653412-B1 Process for preparing 4,5-difluorobenzaldehydes BAYER AG (DE) 1998-01-21 EP disclosed
US-5489715-A Process for preparing 4,5-difluorobenzaldehydes BAYER AKTIENGESELLSCHAFT (DE) 1996-02-06 US disclosed
EP-0653412-A1 Process for preparing 4,5-difluorobenzaldehydes BAYER AG (DE) 1995-05-17 EP disclosed
JP-H06157404-A PREPARATION OF 2,3,4-TRICHLORO-5-FLUORO-BENZOLY CHLORIDE BAYER AG 1994-06-03 JP disclosed
EP-0583705-A1 Process for the preparation of 2,3,4-trichloro-5-fluoro-benzoylchloride BAYER AG (DE) 1994-02-23 EP disclosed
EP-0583705-A1 Process for the preparation of 2,3,4-trichloro-5-fluoro-benzoylchloride BAYER AG (DE) 1994-02-23 EP disclosed
EP-0583705-A1 Process for the preparation of 2,3,4-trichloro-5-fluoro-benzoylchloride BAYER AG (DE) 1994-02-23 EP disclosed
EP-0266512-B1 METHOD FOR THE PRODUCTION OF BENZOIC ACID DERIVATIVES FLUORINATED ON THE NUCLEUS BAYER AG (DE) 1991-12-04 EP disclosed
US-4990661-A Process for the preparation of benzoic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed
US-4851160-A Process for the preparation of benzoic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 1989-07-25 US disclosed
EP-0266512-A2 Method for the production of benzoic acid derivatives fluorinated on the nucleus BAYER AG (DE) 1988-05-11 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200123111-A1 STREAMLINED SYNTHESES OF FLUOROQUINOLONES NRAS, QARS1, BLM ALDH1A1 3504/4885ALOX15 4139/4885KEAP1 1093/4885
US-11059788-B2 Streamlined syntheses of fluoroquinolones NRAS, QARS1, BLM ALDH1A1 3504/4885ALOX15 4139/4885KEAP1 1093/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.